Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL20064115 | 0.74 | CTSK (0.36) | CA1CA2CA7CTSK | |
| SCHEMBL7937376 | 0.72 | CA1 (0.35) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL20643368 | 0.70 | — | — | |
| SCHEMBL3994038 | 0.70 | CA1 (0.43) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL13607498 | 0.70 | CA1 (0.34) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL10652 | 0.70 | CA1 (0.57) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL13525471 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL9235390 | 0.68 | CA1 (0.55) | CA1CA2CA7CTSKCYP2D6 | |
| SCHEMBL3085686 | 0.68 | — | — | |
| SCHEMBL94144 | 0.65 | CTSK (0.32) | CA1CA2CA7CTSK |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008100867-A2 | NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2008-08-21 | — | — | WO | disclosed |